3-methoxy-3,4-dihydro-2H-chromen-6-amine

C10H13NO2 — CID 105438039

IUPAC3-methoxy-3,4-dihydro-2H-chromen-6-amine
SMILESCOC1COc2ccc(N)cc2C1
InChIInChI=1S/C10H13NO2/c1-12-9-5-7-4-8(11)2-3-10(7)13-6-9/h2-4,9H,5-6,11H2,1H3
InChIKeyDTOHDBNPXSJYNA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.22
Rot. Bonds1

About 3-methoxy-3,4-dihydro-2H-chromen-6-amine

3-methoxy-3,4-dihydro-2H-chromen-6-amine (PubChem CID 105438039) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methoxy-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name3-methoxy-3,4-dihydro-2H-chromen-6-amine
PubChem CID105438039
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-methoxy-3,4-dihydro-2H-chromen-6-amine
SMILESCOC1COc2ccc(N)cc2C1
InChIInChI=1S/C10H13NO2/c1-12-9-5-7-4-8(11)2-3-10(7)13-6-9/h2-4,9H,5-6,11H2,1H3
InChIKeyDTOHDBNPXSJYNA-UHFFFAOYSA-N
XLogP1.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030
6-amino-3,4-dihydro-2H-chromene-3-carboxamide
CID 43209471
3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine
CID 105495103
2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 70332550
3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine
CID 130039862
3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine
CID 83853025
2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate
CID 142030949
(3R)-7-amino-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 129451298
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
5,6-dihydrobenzo[b][1]benzoxepine-3,8-diamine
CID 68966932
1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine
CID 163236275

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 3-methoxy-3,4-dihydro-2H-chromen-6-amine (CID 105438039) is 3-methoxy-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 3-methoxy-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 3-methoxy-3,4-dihydro-2H-chromen-6-amine is COC1COc2ccc(N)cc2C1.
What is the InChIKey of 3-methoxy-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is DTOHDBNPXSJYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-12-9-5-7-4-8(11)2-3-10(7)13-6-9/h2-4,9H,5-6,11H2,1H3.
What are the key properties of 3-methoxy-3,4-dihydro-2H-chromen-6-amine?
3-methoxy-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 179.22 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 105438039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).